CID 71587710

Genamin beq 50

Structural Information

Molecular Formula
C50H100NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C50H100NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-49(52)54-47-45-51(3,4)46-48-55-50(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-48H2,1-4H3/q+1
InChIKey
QDFVMNKUSCYRGV-UHFFFAOYSA-N
Compound name
bis(2-docosanoyloxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

778.76526 Da
Monoisotopic Mass

21.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.77254 306.8
[M+Na]+ 801.75448 276.8
[M+NH4]+ 796.79908 276.6
[M+K]+ 817.72842 274.9
[M-H]- 777.75798 256.1
[M+Na-2H]- 799.73993 271.9
[M]+ 778.76471 270.6
[M]- 778.76581 270.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.